CID 125181326

A-796260 degradant

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CC(=C)C(C)(C)CC(=O)C1=CN(C2=CC=CC=C21)CCN3CCOCC3
InChI
InChI=1S/C22H30N2O2/c1-17(2)22(3,4)15-21(25)19-16-24(20-8-6-5-7-18(19)20)10-9-23-11-13-26-14-12-23/h5-8,16H,1,9-15H2,2-4H3
InChIKey
LORODOQLOVWDSW-UHFFFAOYSA-N
Compound name
3,3,4-trimethyl-1-[1-(2-morpholin-4-ylethyl)indol-3-yl]pent-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 190.0
[M+Na]+ 377.219958 194.4
[M-H]- 353.223464 194.3
[M+NH4]+ 372.264563 201.2
[M+K]+ 393.193898 190.6
[M+H-H2O]+ 337.228000 181.0
[M+HCOO]- 399.228941 202.8
[M+CH3COO]- 413.244591 216.3
[M+Na-2H]- 375.205406 189.7
[M]+ 354.23019142 190.5
[M]- 354.23128858 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.